SCHEMBL5465657

SCHEMBL5465657

CCc1cc(C(=O)CCl)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.57
HSP90AB1 P08238 2/20 0.57
HSD17B1 P14061 1/20 0.53
ALDH1A1 P00352 5/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 1/20 0.51
PKM P14618 1/20 0.49
GSK3B P49841 2/20 0.47
POLB P06746 2/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
HIF1A Q16665 2/20 0.44
TRPA1 O75762 1/20 0.44
MAPK1 P28482 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
BACE1 P56817 1/20 0.43
TP53 P04637 1/20 0.43
PTPN1 P18031 1/20 0.41
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2856590 0.85 HTT (0.68) HSP90AA1HSP90AB1HSD17B1ALDH1A1HTT
SCHEMBL14114431 0.84 GSK3B (0.46) HSP90AA1HSP90AB1HSD17B1ALDH1A1HTT
SCHEMBL6756073 0.83 HSP90AA1 (0.64) HSP90AA1HSP90AB1HSD17B1ALDH1A1HTT
SCHEMBL8772648 0.81 HSP90AA1 (0.57) HSP90AA1HSP90AB1HSD17B1ALDH1A1HTT
SCHEMBL9763047 0.80 HSP90AA1 (0.65) HSP90AA1HSP90AB1HSD17B1ALDH1A1HTT
SCHEMBL29389757 0.80 CA12 (0.56) ALDH1A1GSK3BPOLBESR1ESR2
SCHEMBL16010437 0.80 CA12 (0.56) ALDH1A1GSK3BPOLBESR1ESR2
SCHEMBL43409 0.80 CA12 (0.56) ALDH1A1GSK3BPOLBESR1ESR2
SCHEMBL15430106 0.80 GSK3B (0.46) HSP90AA1HSP90AB1ALDH1A1HTTHPGD
SCHEMBL9908793 0.79 GSK3B (0.48) HSD17B1ALDH1A1HTTHPGDGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists PFIZER, INC. 2007-01-25 US disclosed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists GRIN1, GRIN3A, GRIN2C HSP90AA1 2300/4885HSP90AB1 2040/4885HSD17B1 2008/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.